CID 547522

1h-indole-2-ethanamine, alpha,alpha-dimethyl-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-, dihydrochloride, hydrate

Structural Information

Molecular Formula
C18H25N3
SMILES
CC(C)(CC1=C(C2=CC=CC=C2N1)C3=CCN(CC3)C)N
InChI
InChI=1S/C18H25N3/c1-18(2,19)12-16-17(13-8-10-21(3)11-9-13)14-6-4-5-7-15(14)20-16/h4-8,20H,9-12,19H2,1-3H3
InChIKey
AYENKGLDEPKBIU-UHFFFAOYSA-N
Compound name
2-methyl-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-2-yl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.20483 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.21211 170.8
[M+Na]+ 306.19405 178.0
[M-H]- 282.19755 174.0
[M+NH4]+ 301.23865 186.0
[M+K]+ 322.16799 171.6
[M+H-H2O]+ 266.20209 162.7
[M+HCOO]- 328.20303 187.7
[M+CH3COO]- 342.21868 180.9
[M+Na-2H]- 304.17950 173.8
[M]+ 283.20428 167.7
[M]- 283.20538 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.